ELECTRONIC STRUCTURE AND CHEMICAL BONDING OF TRISINDENYL SAMARIUM

The electronic structure and chemical bonding of Sm(Ind)₃ were studied by using INDOcalculation method.The results showed that the 6s 6Pand 5d orbitals of Sm mixed with the atomic orbitals of ligands to some extent while the 4f orbital of Sm was strongly localized, participating in bonding less than 2%.The HOMO and the LUMO were of π-type.The chemical bond of Sm(Ind)₃ is considerably covalent in character.The net charge distribution on the carbon atoms of the indenyl group is unequal.The Some bonds in Sm(Ind)₃ THF is discussed.